SCHEMBL2222801

SCHEMBL2222801

CC(C)c1ccnc(N2CCN(Cc3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
DRD2 P14416 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
RAB9A P51151 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NMT1 P30419 1/20 0.36
GPR6 P46095 2/20 0.36
KDM4E B2RXH2 1/20 0.35
DRD4 P21917 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2223695 0.91 ALDH1A1 (0.45) ALDH1A1TSHRDRD2RXFP1MEN1
SCHEMBL2221340 0.89 ALDH1A1 (0.44) ALDH1A1TSHRDRD2MEN1KMT2A
SCHEMBL14632833 0.83 ALDH1A1 (0.39) ALDH1A1TSHRDRD2RAB9AMEN1
Hydrochloric Acid SCHEMBL2223708 0.82 BCL2L1 (0.44) ALDH1A1MEN1KMT2AGPR6KDM4E
SCHEMBL2221587 0.81 HTR3E (0.42) ALDH1A1TSHRMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2222696 0.81 PTGDR2 (0.38) ALDH1A1TSHRGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL2222868 0.80 FAAH (0.38)
SCHEMBL2222485 0.80 ALDH1A1 (0.54) ALDH1A1GAAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2222910 0.79 HTR3E (0.44) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL27897449 0.79 TSHR (0.48) ALDH1A1TSHRDRD2RXFP1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO claimed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ALDH1A1 2656/4885TSHR 2666/4885DRD2 2023/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ALDH1A1 2495/4885TSHR 3191/4885DRD2 2003/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.